| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:56 UTC |
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| Update Date | 2025-03-25 00:50:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178405 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O9S |
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| Molecular Mass | 324.0264 |
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| SMILES | COC1C(O)C(OS(=O)(=O)O)OC1n1ccc(=O)[nH]c1=O |
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| InChI Key | FKWPKTCJRAESIV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl sulfatesazacyclic compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssulfuric acid monoesterstetrahydrofuransvinylogous amides |
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| Substituents | sulfuric acid monoesteretherlactamaromatic heteromonocyclic compoundmonosaccharidepyrimidonedialkyl ethersaccharideorganic oxidealkyl sulfateorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidecarbonic acid derivativeorganic sulfuric acid or derivativesazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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